⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL20683887 | 0.83 | — | — | |
| SCHEMBL588229 | 0.81 | — | — | |
| SCHEMBL16850660 | 0.81 | — | — | |
| SCHEMBL6901835 | 0.81 | — | — | |
| SCHEMBL4672564 | 0.80 | — | — | |
| SCHEMBL3746774 | 0.78 | ALDH1A1 (0.42) | — | |
| SCHEMBL3746769 | 0.78 | ALDH1A1 (0.42) | — | |
| SCHEMBL10606161 | 0.74 | — | — | |
| SCHEMBL711247 | 0.74 | — | — | |
| SCHEMBL21766164 | 0.74 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1998037084-A1 | 3-SUBSTITUTED CLAVAMS FOR CALPAIN INHIBITION | SMITHKLINE BEECHAM CORPORATION (US) | 1998-08-27 | — | — | WO | disclosed |